NCI60_003534
Molecular Formula:
C42H68N6O6S
InChI: InChI=1/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)/t28-,29+,31-,32?,33?,35-,36-,37-,38+/m1/s1/f/h44-45H
InChIKey: InChIKey=OFDNQWIFNXBECV-WGNRPZFADP
SMILES: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C
Names:
NCI60_003534
(2R)-2-[[(2R)-2-dimethylamino-3-methyl-butanoyl]amino]-N-[(4R,5R)-3-methoxy-1-[2-[(1S,2S)-1-methoxy-2-[[(1R)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]carbamoyl]propyl]pyrrolidin-1-yl]-5-methyl-1-oxo-heptan-4-yl]-N,3-dimethyl-butanamide
Registries:
PubChem CID 341880
PubChem ID 11407926
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